CAS 8000-95-1 MFCD00050906-CAFFEINE and SODIUM BENZOATE Sodium TAO{mole}

CAFFEINE and SODIUM BENZOATE Sodium

CAS 8000-95-1 MFCD00050906

化学结构图

SMILES: Cn1c(=O)c2c(ncn2C)n(C)c1=O.O=C(O)c1ccccc1.[NaH]

化学属性

Mol. Formula	C8H10N4O2.C7H5O2.Na
Mol. Weight	338.33

别名和识别编码

Chemical Name	caffeine benzoate
MDL Number	MFCD00050906
InChIKey	JWBPVFVNISJVEM-UHFFFAOYSA-M
Wiswesser Line Notation	T56 BN DN FNVNVJ B1 F1 H1 &OVR &-NA-
Synonym	Benzoic acid, sodium salt, mixt. with Annaca
CAS Number	8000-95-1
Chemical Name Translation	Sodium
PubChem Substance ID	23669229
InChI	InChI=1S/C8H10N4O2.C7H6O2.Na/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;8-7(9)6-4-2-1-3-5-6;/h4H,1-3H3;1-5H,(H,8,9);/q;;+1/p-1

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安全信息

GHS Symbol

WGK Germany3

Hazard statements

H302 Harmful if swallowed 吞食有害

RTECSEV6640000

Signal word Warning

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Amphibian - frog
DOSE/DURATION           : 900 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 83,1,1945

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 525 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 116,343,1956

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 70 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   PHTXA6 Pharmacology and Toxicology.  English translation of FATOAO.  (New
   York, NY)  V.20-22, 1957-59.  Discontinued.  Volume(issue)/page/year:
   21,1,1958

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 800 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single
   Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects,
   GKNT, 1982  Volume(issue)/page/year: -,31,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUT

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 20 mg/kg
SEX/DURATION            : male 1 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Fertility - mating performance (e.g. # sperm positive females
   per # females mated; # copulations per # estrus cycles)
REFERENCE :
   SCIEAS Science.  (American Assoc. for the Advancement of Science, 1333 H
   St., NW, Washington, DC 20005)  V.1-    1895-  Volume(issue)/page/year:
   127,84,1958

Precautionary statements

P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
P301+P312
P301+P317
P330 Rinse mouth. 漱口
P501 Dispose of contents/container to..… 处理内容物/容器.....

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